75609 <common-name>2-Nitro-4-(propylthio)aniline</common-name> <description>2-Nitro-4-(propylthio)aniline belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H12N2O2S1 and an average molecular weight of 212.27 g/mol.</description> <cas>54393-89-4</cas> <pubchem-id>3016876</pubchem-id> <chemical-formula>C9H12N2O2S1</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T04:40:09Z</created-at> <updated-at type="dateTime">2026-04-04T04:40:09Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCSC1=CC(=C(N)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C9H12N2O2S1</moldb-formula> <moldb-inchi>InChI=1S/C9H12N2O2S/c1-2-5-14-7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5,10H2,1H3</moldb-inchi> <moldb-inchikey>LFZBJSIIHWNZAW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.27</moldb-average-mass> <moldb-mono-mass type="decimal">212.061948</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2284729</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM071502</chemdb-id> <dsstox-id>DTXSID80202782</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033070</susdat-id> <iupac>2-nitro-4-propylsulfanylaniline</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0113382</sync-id> <structure-inchikey>LFZBJSIIHWNZAW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800200000800000000000000000000000020000000000000000002000000000004002000000000000000000000000000001000000000000000000000000000000000000000000020000000000000001800000000400000000020001000000200000000100000000200000000000000000000000000000000000040000000000000000000000000001002001000000000000001000020000000000000000000000000080000000000000000004000000000000000000400000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000100001000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>13000408903000000000000010820000000040000050000002420700200000c4002001000800000000001000080000004200020008c30010000443000a0000084110420020000400090100000620000000001804000003240000420000200400c200404004002090000000040100002a0008010010180047118000000110002004000080c4000080c000a0008080008110c80124c0014020000880000004000404320000000400000001840013c201002c0000080410850100002000040021000000004244820120181000000010380000000000200400000008000080001000000090000000000000000000000200020100010004000020008000050000400</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICEAAgAAAAAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgA AAADBAcAaAAAAAMBAgZAaAAAAAMDAQZAaAAAAAMDAQcgKgAAAAEDBAggKgAA AP8DAQgAKAAAAAMCCwABAAECAAIDAAMEAAQFaAwFBmgMBgdoDAcIIAcJaAwJ CmgMBgsgCwwgCw0oAgoEaAxCAQAAAAYECgkHBgUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:50Z</structure-indexed-at> </compound>